General Information of the Compound
| Compound ID |
CP0466971
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| Compound Name |
(R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
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| Structure |
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| Formula |
C35H39N3O3S
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| Molecular Weight |
581.782
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| Canonical SMILES |
O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCCc2cc(CN3CCCCC3)ccc12
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| InChI |
InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34+/m0/s1
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| InChIKey |
DDNUEGGLAHLSLQ-SZAHLOSFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01032, B1 bradykinin receptor
Protein ID: PT02392, B2 bradykinin receptor